General Information of the Compound
| Compound ID |
CP0048902
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| Compound Name |
11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-8-ol
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| Structure |
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| Formula |
C18H20N4O
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| Molecular Weight |
308.385
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(O)ccc2Nc2ccccc12
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| InChI |
InChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-15(14)19-16-7-6-13(23)12-17(16)20-18/h2-7,12,19,23H,8-11H2,1H3
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| InChIKey |
JLYQCLIQUFEFFL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound